ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

C21H17FN4O2 — CID 175772540

IUPACethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc1
InChIInChI=1S/C21H17FN4O2/c1-2-28-21(27)15-5-9-17(10-6-15)24-20-19(14-3-7-16(22)8-4-14)25-18-13-23-11-12-26(18)20/h3-13,24H,2H2,1H3
InChIKeyGIRMHAWCTWAECI-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.46
Rot. Bonds5

About ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (PubChem CID 175772540) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
PubChem CID175772540
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Nameethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc1
InChIInChI=1S/C21H17FN4O2/c1-2-28-21(27)15-5-9-17(10-6-15)24-20-19(14-3-7-16(22)8-4-14)25-18-13-23-11-12-26(18)20/h3-13,24H,2H2,1H3
InChIKeyGIRMHAWCTWAECI-UHFFFAOYSA-N
XLogP4.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
3-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 150099742
methyl 3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 53207862
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate (CID 175772540) is ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc1.
What is the InChIKey of ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
The InChIKey is GIRMHAWCTWAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-2-28-21(27)15-5-9-17(10-6-15)24-20-19(14-3-7-16(22)8-4-14)25-18-13-23-11-12-26(18)20/h3-13,24H,2H2,1H3.
What are the key properties of ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate?
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate has a molecular weight of 376.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate is sourced from PubChem (CID 175772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).